CID 13627345

6-amino-1,3-benzoxazole-2-thiol

Structural Information

Molecular Formula
C7H6N2OS
SMILES
C1=CC2=C(C=C1N)OC(=S)N2
InChI
InChI=1S/C7H6N2OS/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,8H2,(H,9,11)
InChIKey
SARIJQZTDPNQMQ-UHFFFAOYSA-N
Compound name
6-amino-3H-1,3-benzoxazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

68
Patents

166.02008 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.027356 128.1
[M+Na]+ 189.009298 140.5
[M-H]- 165.012804 131.8
[M+NH4]+ 184.053903 149.2
[M+K]+ 204.983238 136.7
[M+H-H2O]+ 149.017340 123.2
[M+HCOO]- 211.018281 147.6
[M+CH3COO]- 225.033931 143.0
[M+Na-2H]- 186.994746 134.2
[M]+ 166.01953142 129.9
[M]- 166.02062858 129.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe